SCHEMBL3097579

SCHEMBL3097579

O=C/C=C/C=C(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
TDP1 Q9NUW8 4/20 0.43
MAPK1 P28482 3/20 0.43
LMNA P02545 2/20 0.43
TRPA1 O75762 1/20 0.43
ALOX5 P09917 1/20 0.43
CYP2C19 P33261 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TSHR P16473 2/20 0.41
CYP3A4 P08684 2/20 0.41
MAPT P10636 2/20 0.41
POLB P06746 1/20 0.41
PARP1 P09874 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1825351 1.00 ALDH1A1 (0.43) ALDH1A1TDP1MAPK1LMNATRPA1
SCHEMBL11221544 0.88 TDP1 (0.43) ALDH1A1TDP1MAPK1CYP2C19L3MBTL1
SCHEMBL11221549 0.88 TDP1 (0.43) ALDH1A1TDP1MAPK1CYP2C19L3MBTL1
SCHEMBL376723 0.83 ALDH1A1 (0.48) ALDH1A1TDP1MAPK1LMNACYP2C19
SCHEMBL9421100 0.78 CES2 (0.43) CYP2C19MAPTCYP1A2CES1CES2
SCHEMBL9421046 0.78 CES2 (0.43) CYP2C19MAPTCYP1A2CES1CES2
SCHEMBL13825219 0.78 ALDH1A1 (0.40) ALDH1A1TDP1MAPK1LMNATRPA1
SCHEMBL9421038 0.78 ALDH1A1 (0.43) ALDH1A1TDP1LMNAMAPTNPSR1
SCHEMBL30698175 0.78 ALDH1A1 (0.40) ALDH1A1TDP1MAPK1LMNATRPA1
SCHEMBL9421036 0.78 ALDH1A1 (0.43) ALDH1A1TDP1LMNAMAPTNPSR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234455-A1 Histone Deacetylase Inhibitors ERRANT GENE THERAPEUTICS, LLC 2010-09-16 US disclosed
US-5332857-A 3,5-dihydroxy-6,8-nonadienoic acids and derivatives as hypocholesterolemic agents PFIZER INC. (US) 1994-07-26 US disclosed
EP-0312269-B1 3,5-DIHYDROXY-6,8-NONADIENOIC ACIDS AND DERIVATIVES AS HYPOCHOLESTEROLEMIC AGENTS PFIZER INC. (US) 1993-06-16 EP disclosed
US-5151545-A 3,5-DIHYDROXY-6,8-NONADIENOIC ACIDS AND DERIVATIVES AS HYPOCHOLESTEROLEMIC AGENTS PFIZER INC. (US) 1992-09-29 US disclosed
WO-1989003212-A1 3,5-DIHYDROXY-6,8-NONADIENOIC ACIDS AND DERIVATIVES AS HYPOCHOLESTEROLEMIC AGENTS PFIZER INC. (US) 1989-04-20 WO disclosed
EP-0312269-A2 3,5-Dihydroxy-6,8-nonadienoic acids and derivatives as hypocholesterolemic agents PFIZER INC. (US) 1989-04-19 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100234455-A1 Histone Deacetylase Inhibitors HDAC1, HDAC2, HDAC11 ALDH1A1 1607/4885TDP1 3441/4885MAPK1 2138/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.